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MFsim-an open Java all-in-one rich-client simulation environment for mesoscopic simulation.

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第一作者： Karina,van den Broek

第一单位： Inorganic Chemistry and Center for Nanointegration Duisburg-Essen (CeNIDE), University of Duisburg-Essen, Essen, Germany.;Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany.

作者： Karina,van den Broek ^[1] ; Mirco,Daniel ^[2] ; Matthias,Epple ^[3] ; Jan-Mathis,Hein ^[2] ; Hubert,Kuhn ^[4] ; Stefan,Neumann ^[5] ; Andreas,Truszkowski ^[6] ; Achim,Zielesny ^[7]

作者单位： Inorganic Chemistry and Center for Nanointegration Duisburg-Essen (CeNIDE), University of Duisburg-Essen, Essen, Germany.;Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany. ^[1] Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany. ^[2] Inorganic Chemistry and Center for Nanointegration Duisburg-Essen (CeNIDE), University of Duisburg-Essen, Essen, Germany. ^[3] CAM-D Technologies GmbH, Solingen, Germany. ^[4] GNWI - Gesellschaft für naturwissenschaftliche Informatik mbH, Dortmund, Germany. ^[5] Yara Deutschland, Dülmen, Germany. ^[6] Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665, Recklinghausen, Germany. achim.zielesny@w-hs.de. ^[7]

关键词 DPD Dissipative particle dynamics GUI Graphical user interface MFD MVC Mesoscopic simulation Model-view-controller Molecular fragment dynamics Molecular simulation PDB parser Pattern Rich-client

DOI 10.1186/s13321-020-00432-9

PMID 33430951

发布时间 2021-01-15

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